SCHEMBL28597349

SCHEMBL28597349

COc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(I)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.66
KEAP1 Q14145 4/20 0.55
NFE2L2 Q16236 3/20 0.55
SQSTM1 Q13501 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA3 P34903 1/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 2/20 0.53
NFKBIA P25963 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
TRIM24 O15164 1/20 0.52
BRPF1 P55201 1/20 0.52
TSHR P16473 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5955298 0.87 FFAR4 (0.71) FFAR4KEAP1NFE2L2SQSTM1GABRG2
SCHEMBL28597367 0.85 KEAP1 (0.60) FFAR4KEAP1NFE2L2MAPTLMNA
SCHEMBL12768020 0.81 FFAR4 (0.81) FFAR4KEAP1NFE2L2SQSTM1GABRG2
SCHEMBL30958863 0.81 FFAR4 (0.63) FFAR4KEAP1NFE2L2SQSTM1GABRG2
SCHEMBL28728869 0.81 FFAR4 (0.63) FFAR4KEAP1NFE2L2SQSTM1GABRG2
SCHEMBL19364119 0.81 GAA (0.64) FFAR4KEAP1NFE2L2SQSTM1GABRG2
SCHEMBL23200363 0.80 FFAR4 (0.65) FFAR4KEAP1MAPTLMNAKMT2A
SCHEMBL31138312 0.80 FFAR4 (0.65) FFAR4KEAP1MAPTLMNAKMT2A
SCHEMBL28534702 0.80 FFAR4 (0.61) FFAR4KEAP1NFE2L2SQSTM1GABRG2
SCHEMBL29083801 0.80 FFAR4 (0.61) FFAR4KEAP1NFE2L2SQSTM1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113173877-B Indole acetyl imino sulfone series compounds and preparation method thereof 江西师范大学 2023-10-27 CN disclosed
CN-113173877-A Indole acetyl imino sulfone series compound and preparation method thereof 江西师范大学 2021-07-27 CN disclosed